SCHEMBL17952105

SCHEMBL17952105

Cc1cccc(N2c3ccc(C#N)c(C#N)c3N(C)[C@@H]2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ AR P10275 7/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17952111 0.90 TSHR (0.37) CYP1A2CYP2C19ARSMN1; SMN2HIF1A
SCHEMBL17952109 0.88 CYP1A2 (0.37) CYP1A2CYP2C19ARSMN1; SMN2HIF1A
SCHEMBL17952366 0.87 TSHR (0.39) CYP1A2CYP2C19ARSMN1; SMN2HIF1A
SCHEMBL17952104 0.85 AR (0.32) AR
SCHEMBL17952127 0.85 AR (0.33) AR
SCHEMBL17952096 0.84 TSHR (0.35) CYP1A2CYP2C19ARSMN1; SMN2TSHR
SCHEMBL17952106 0.84 AR (0.33) AR
SCHEMBL17952091 0.83 AR (0.34) AR
SCHEMBL17952108 0.82 AR (0.31) AR
SCHEMBL17952094 0.82 AR (0.33) AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 CYP1A2 1168/4885CYP2C19 2422/4885AR 1525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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